2-(aminomethyl)-4-methyl-N-(thian-3-yl)pentanamide

C12H24N2OS — CID 115740731

IUPAC2-(aminomethyl)-4-methyl-N-(thian-3-yl)pentanamide
SMILESCC(C)CC(CN)C(=O)NC1CCCSC1
InChIInChI=1S/C12H24N2OS/c1-9(2)6-10(7-13)12(15)14-11-4-3-5-16-8-11/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyXMPSWYMWJZDDSZ-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.62
Rot. Bonds5

About 2-(aminomethyl)-4-methyl-N-(thian-3-yl)pentanamide

2-(aminomethyl)-4-methyl-N-(thian-3-yl)pentanamide (PubChem CID 115740731) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-(thian-3-yl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-(thian-3-yl)pentanamide
PubChem CID115740731
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name2-(aminomethyl)-4-methyl-N-(thian-3-yl)pentanamide
SMILESCC(C)CC(CN)C(=O)NC1CCCSC1
InChIInChI=1S/C12H24N2OS/c1-9(2)6-10(7-13)12(15)14-11-4-3-5-16-8-11/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyXMPSWYMWJZDDSZ-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(thian-3-yl)propanamide
CID 115674781
2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide
CID 107472858
2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296028
(2S)-2-amino-N-(thian-3-yl)butanamide
CID 103797750
3-methyl-2-sulfanyl-N-(thian-3-yl)butanamide
CID 107035774
2-(2-aminoethyl)-N-cyclopentyl-4-methylpentanamide
CID 112515388
4-methyl-2-methylidene-N-(thian-3-yl)pentanamide
CID 136571066
2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide
CID 83029071
1-(2-aminoethyl)-3-(thian-3-yl)urea
CID 117234777
2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide
CID 130694647
N-propan-2-yl-2-(thian-3-ylamino)acetamide
CID 62871240
2-(2-aminoethoxy)-N-(thian-3-yl)acetamide
CID 115740727

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-(thian-3-yl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-(thian-3-yl)pentanamide (CID 115740731) is 2-(aminomethyl)-4-methyl-N-(thian-3-yl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-(thian-3-yl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-(thian-3-yl)pentanamide is CC(C)CC(CN)C(=O)NC1CCCSC1.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-(thian-3-yl)pentanamide?
The InChIKey is XMPSWYMWJZDDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-9(2)6-10(7-13)12(15)14-11-4-3-5-16-8-11/h9-11H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-4-methyl-N-(thian-3-yl)pentanamide?
2-(aminomethyl)-4-methyl-N-(thian-3-yl)pentanamide has a molecular weight of 244.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-N-(thian-3-yl)pentanamide is sourced from PubChem (CID 115740731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).